| SpectraBase Compound ID | 4Kh58PQeQ3e |
|---|---|
| InChI | InChI=1S/C12H16BrNO/c1-9(2)6-7-14-12(15)10-4-3-5-11(13)8-10/h3-5,8-9H,6-7H2,1-2H3,(H,14,15) |
| InChIKey | IKJZQBZKPJUEJA-UHFFFAOYSA-N |
| Mol Weight | 270.17 g/mol |
| Molecular Formula | C12H16BrNO |
| Exact Mass | 269.041527 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 3FDpluHOyHc |
|---|---|
| Name | Benzamide, 3-bromo-N-(3-methylbutyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 269.041527138 u |
| Formula | C12H16BrNO |
| InChI | InChI=1S/C12H16BrNO/c1-9(2)6-7-14-12(15)10-4-3-5-11(13)8-10/h3-5,8-9H,6-7H2,1-2H3,(H,14,15) |
| InChIKey | IKJZQBZKPJUEJA-UHFFFAOYSA-N |
| Molecular Weight | 270.170 g/mol |
| SMILES | C(NCCC(C)C)(=O)C=1C=CC=C(Br)C1 |